Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL054044
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C35H32N2O6 MW 576.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32N2O6/c1-3-41-30-19-25(9-12-29(30)42-21-24-7-5-4-6-8-24)32-31(33(38)26-10-11-28-27(18-26)17-22(2)43-28)34(39)35(40)37(32)20-23-13-15-36-16-14-23/h4-16,18-19,22,32,38H,3,17,20-21H2,1-2H3/b33-31+InChIKey
XKISSRLHRYJTHY-QOSDPKFLSA-NSynonyms
893696-87-2(4E)5(3ETHOXY4PHENYLMETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXY4PHENYLMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(4(benzyloxy)3ethoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
893696872
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CC5=CC=(NH+)C=C5)OCC6=CC=CC=C6
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC35H32N2O6c1341301925(91229(30)4221247546824)3231(33(38)2610112827(1826)1722(2)4328)34(39)35(40)37(32)2023131536161423h4161819223238H3172021H212H3b3331+
MFCD18249575
ZINC000102893521
ZINC000102893530
Check stock
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